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canSAR342881
FEATURES
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NAMES
    SMILES
    CCC[C@H](NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C(C)(C)C)NC(=O)OCCCCCCc1cccc3c1CN(C3)C(=O)O2)C(=O)C(=O)NC1CCC1
    InChI
    InChI=1S/C37H53N5O8/c1-5-12-28(30(43)33(45)38-25-16-11-17-25)39-32(44)29-19-26-21-42(29)34(46)31(37(2,3)4)40-35(47)49-18-9-7-6-8-13-23-14-10-15-24-20-41(22-27(23)24)36(48)50-26/h10,14-15,25-26,28-29,31H,5-9,11-13,16-22H2,1-4H3,(H,38,45)(H,39,44)(H,40,47)/t26-,28+,29+,31-/m1/s1
    MOLECULAR FORMULA
    C37H53N5O8
    CROSS REFERENCES
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    canSAR342881

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 695.39
    AlogP 3.89
    HBond donors 3
    HBond acceptors 13
    Atoms 103
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR342881.